2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate

C15H27FN2O2 — CID 172590623

IUPAC2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(C2CCNCC2F)CC1
InChIInChI=1S/C15H27FN2O2/c1-11(2)10-20-15(19)12-4-7-18(8-5-12)14-3-6-17-9-13(14)16/h11-14,17H,3-10H2,1-2H3
InChIKeyCKDFMCADQCWZMT-UHFFFAOYSA-N
MW286.39 g/mol
LogP1.60
Rot. Bonds4

About 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate

2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate (PubChem CID 172590623) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
PubChem CID172590623
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC Name2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(C2CCNCC2F)CC1
InChIInChI=1S/C15H27FN2O2/c1-11(2)10-20-15(19)12-4-7-18(8-5-12)14-3-6-17-9-13(14)16/h11-14,17H,3-10H2,1-2H3
InChIKeyCKDFMCADQCWZMT-UHFFFAOYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl [1,4'-bipiperidine]-4-carboxylate
CID 165902602
Ethyl (1,4'-bipiperidine)-4-carboxylate dihydrochloride
CID 75531201
Ethyl 1'-propyl-1,4'-bipiperidine-4-carboxylate
CID 2846626
ethyl 1-[2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl]piperidine-4-carboxylate
CID 58778835
Ethyl 3-fluoropiperidine-4-carboxylate
CID 105436055
Methyl 1-(azepan-4-yl)-4-fluoropiperidine-4-carboxylate
CID 123986152
Trifluoro-[[4-(4-methoxycarbonylpiperidin-1-yl)piperidin-1-ium-1-yl]methyl]boranuide
CID 171740187
tert-Butyl 3',3'-difluoro-[1,4'-bipiperidine]-4-carboxylate
CID 172590012
Tert-butyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate
CID 172590574
1-(3,3-Difluoropiperidin-4-yl)piperidine-4-carboxylic acid
CID 176180982
1-(3-Fluoropiperidin-4-yl)piperidine-4-carboxylic acid
CID 176181036
Ethyl 1'-ethyl-1,4'-bipiperidine-4-carboxylate
CID 784282

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate (CID 172590623) is 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate is CC(C)COC(=O)C1CCN(C2CCNCC2F)CC1.
What is the InChIKey of 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate?
The InChIKey is CKDFMCADQCWZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-11(2)10-20-15(19)12-4-7-18(8-5-12)14-3-6-17-9-13(14)16/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate?
2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate has a molecular weight of 286.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(3-fluoropiperidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 172590623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).